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{
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{
"id": "mp-1096017",
"created_at": "2022-09-04T14:44:15.956845Z",
"structure_string": "Na1 Hg2 Sb1\n1.0\n-6.044120 6.155135 8.693754\n6.044120 -6.155135 8.693754\n6.044120 6.155135 -8.693754\nNa Hg Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.245599 0.245599 Hg\n0.000000 0.754401 0.754401 Hg\n0.000000 0.500000 0.500000 Sb\n",
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{
"id": "mp-1097441",
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"nsites": 4,
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"chemical_system": "Hg-In-Mg",
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"updated_at": "2021-11-28T01:36:27.025000Z",
"spacegroup": 71
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{
"id": "mp-1096609",
"created_at": "2022-09-04T14:46:53.311194Z",
"structure_string": "Sc2 Tl1 Cr1\n1.0\n-5.707331 6.304882 8.953817\n5.707331 -6.304882 8.953817\n5.707331 6.304882 -8.953817\nSc Tl Cr\n2 1 1\ndirect\n0.000000 0.250512 0.250512 Sc\n0.000000 0.749488 0.749488 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cr-Sc-Tl",
"density": 0.4461823168891156,
"density_atomic": 0.0031037144826491355,
"volume": 1288.778340392268,
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"formula_full": "Sc2 Tl1 Cr1",
"formula_reduced": "Sc2TlCr",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -14.46868896,
"band_gap": 0.0653000000000001,
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"total_magnetization": 8.0030011,
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"updated_at": "2021-11-28T01:37:39.718000Z",
"spacegroup": 71
},
{
"id": "mp-1096300",
"created_at": "2022-09-04T14:43:37.234928Z",
"structure_string": "Y2 In1 Cu1\n1.0\n-5.840926 6.247359 8.815638\n5.840926 -6.247359 8.815638\n5.840926 6.247359 -8.815638\nY In Cu\n2 1 1\ndirect\n0.000000 0.240469 0.240469 Y\n0.000000 0.759531 0.759531 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
],
"chemical_system": "Cu-In-Y",
"density": 0.45964387489527747,
"density_atomic": 0.0031086232048371256,
"volume": 1286.7432739277829,
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"formula_full": "Y2 In1 Cu1",
"formula_reduced": "Y2InCu",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -11.07238507,
"band_gap": 0.1400000000000001,
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"updated_at": "2021-11-28T01:36:28.308000Z",
"spacegroup": 71
},
{
"id": "mp-1096103",
"created_at": "2022-09-04T14:48:20.922894Z",
"structure_string": "Ca2 Hg1 Pt1\n1.0\n-5.814245 6.258198 8.840607\n5.814245 -6.258198 8.840607\n5.814245 6.258198 -8.840607\nCa Hg Pt\n2 1 1\ndirect\n0.000000 0.220629 0.220629 Ca\n0.000000 0.779371 0.779371 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.6140676427373019,
"density_atomic": 0.0031086747636789396,
"volume": 1286.721932681767,
"volume_molar": 193.7205149397211,
"formula_full": "Ca2 Hg1 Pt1",
"formula_reduced": "Ca2HgPt",
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"energy": -7.31709982,
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"energy_uncorrected": -7.31709982,
"band_gap": 0.3131999999999999,
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"total_magnetization": 2.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.045000Z",
"spacegroup": 71
},
{
"id": "mp-1097201",
"created_at": "2022-09-04T14:42:00.666246Z",
"structure_string": "Cd1 In2 Hg1\n1.0\n-6.093363 6.119091 8.625274\n6.093363 -6.119091 8.625274\n6.093363 6.119091 -8.625274\nCd In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750284 0.000000 0.750284 In\n0.249716 0.000000 0.249716 In\n0.500000 0.000000 0.500000 Hg\n",
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"elements": [
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"In",
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"chemical_system": "Cd-Hg-In",
"density": 0.7004572680600556,
"density_atomic": 0.0031094468427921014,
"volume": 1286.40243819323,
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"formula_full": "Cd1 In2 Hg1",
"formula_reduced": "CdIn2Hg",
"formula_anonymous": "ABC2",
"energy": -3.08135271,
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"energy_uncorrected": -3.08135271,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.003000Z",
"spacegroup": 71
},
{
"id": "mp-1093955",
"created_at": "2022-09-04T14:45:29.542235Z",
"structure_string": "Y1 Hg2 Au1\n1.0\n-5.841499 6.241692 8.817641\n5.841499 -6.241692 8.817641\n5.841499 6.241692 -8.817641\nY Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.267129 0.267129 Hg\n0.000000 0.732871 0.732871 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
"chemical_system": "Au-Hg-Y",
"density": 0.8871558590211424,
"density_atomic": 0.003110433680566266,
"volume": 1285.994305228776,
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"formula_full": "Y1 Hg2 Au1",
"formula_reduced": "YHg2Au",
"formula_anonymous": "ABC2",
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"band_gap": 0.4441999999999999,
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"total_magnetization": 5.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.297000Z",
"spacegroup": 71
},
{
"id": "mp-1097479",
"created_at": "2022-09-04T14:48:17.156732Z",
"structure_string": "Ca1 Y1 Zn2\n1.0\n-6.182236 6.206978 8.377643\n6.182236 -6.206978 8.377643\n6.182236 6.206978 -8.377643\nCa Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255830 0.255830 Zn\n0.000000 0.744170 0.744170 Zn\n",
"nsites": 4,
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"Y",
"Zn"
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"density": 0.3354931906630232,
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"volume": 1285.9012746201224,
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"formula_full": "Ca1 Y1 Zn2",
"formula_reduced": "CaYZn2",
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"band_gap": 0.0335,
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"updated_at": "2021-11-28T01:39:01.470000Z",
"spacegroup": 71
},
{
"id": "mp-1093985",
"created_at": "2022-09-04T14:47:01.106413Z",
"structure_string": "La2 Ni1 Ir1\n1.0\n-4.742606 6.936539 9.766503\n4.742606 -6.936539 9.766503\n4.742606 6.936539 -9.766503\nLa Ni Ir\n2 1 1\ndirect\n0.000000 0.244557 0.244557 La\n0.000000 0.755443 0.755442 La\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Ni",
"Ir"
],
"chemical_system": "Ir-La-Ni",
"density": 0.6831514257896528,
"density_atomic": 0.003112440324743999,
"volume": 1285.1652024297057,
"volume_molar": 193.48614372213953,
"formula_full": "La2 Ni1 Ir1",
"formula_reduced": "La2NiIr",
"formula_anonymous": "ABC2",
"energy": -17.88295031,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:44.315000Z",
"spacegroup": 71
},
{
"id": "mp-1093956",
"created_at": "2022-09-04T14:47:06.927009Z",
"structure_string": "Tl1 In2 Hg1\n1.0\n-5.973035 6.166997 8.718019\n5.973035 -6.166997 8.718019\n5.973035 6.166997 -8.718019\nTl In Hg\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.253245 0.253245 In\n0.000000 0.746755 0.746755 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.8203684135488111,
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"volume": 1284.536943736169,
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"formula_full": "Tl1 In2 Hg1",
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"updated_at": "2021-11-28T01:37:51.584000Z",
"spacegroup": 71
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{
"id": "mp-1097180",
"created_at": "2022-09-04T14:47:06.942959Z",
"structure_string": "La2 Cd1 Hg1\n1.0\n-5.867879 6.095231 8.961507\n5.867879 -6.095231 8.961507\n5.867879 6.095231 -8.961507\nLa Cd Hg\n2 1 1\ndirect\n0.000000 0.252275 0.252275 La\n0.000000 0.747725 0.747725 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
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"density": 0.7652194535487743,
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"volume": 1282.07183290225,
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"formula_full": "La2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:37:55.113000Z",
"spacegroup": 71
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{
"id": "mp-1097485",
"created_at": "2022-09-04T14:40:36.813162Z",
"structure_string": "Ca1 La1 Au2\n1.0\n-5.576391 6.356280 9.042502\n5.576391 -6.356280 9.042502\n5.576391 6.356280 -9.042502\nCa La Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.249999 0.249999 Au\n0.000000 0.750001 0.750001 Au\n",
"nsites": 4,
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"elements": [
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"volume": 1282.0496440776324,
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"formula_full": "Ca1 La1 Au2",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:03.583000Z",
"spacegroup": 71
}
]
}